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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Π
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-2087.494586
Energy at 298.15K
HF Energy	-2087.494586
Nuclear repulsion energy	62.339373

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	0.257
C2	0.000	0.000	-1.372

	Ge1	C2
Ge1		1.6298
C2	1.6298

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.269
2	C	-0.269

All results from a given calculation for GeC (Germanium monocarbide)

using model chemistry: LSDA/STO-3G

States and conformations

State 1 (³Π)

State 2 (¹Σ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-2087.636996
Energy at 298.15K	-2087.635848
HF Energy	-2087.636996
Nuclear repulsion energy	73.667632

<r²>	26.946
(<r²>)^1/2	5.191

	Ge1	C2
Ge1		1.3792
C2	1.3792

<r²>	22.226
(<r²>)^1/2	4.714

All results from a given calculation for GeC (Germanium monocarbide)

using model chemistry: LSDA/STO-3G

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)